3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole

C16H10Cl2F2N2O — CID 5050996

IUPAC3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1noc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C16H10Cl2F2N2O/c17-11-3-1-5-13(19)9(11)7-15-21-16(23-22-15)8-10-12(18)4-2-6-14(10)20/h1-6H,7-8H2
InChIKeyCGYQTKKJGKCXHZ-UHFFFAOYSA-N
MW355.17 g/mol
LogP4.84
Rot. Bonds4

About 3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole

3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 5050996) has the molecular formula C16H10Cl2F2N2O and a molecular weight of 355.17 g/mol. Its IUPAC name is 3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID5050996
Molecular FormulaC16H10Cl2F2N2O
Molecular Weight355.17 g/mol
Exact Mass354.01
IUPAC Name3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1noc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C16H10Cl2F2N2O/c17-11-3-1-5-13(19)9(11)7-15-21-16(23-22-15)8-10-12(18)4-2-6-14(10)20/h1-6H,7-8H2
InChIKeyCGYQTKKJGKCXHZ-UHFFFAOYSA-N
XLogP4.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 5050996) is 3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole is Fc1cccc(Cl)c1Cc1noc(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is CGYQTKKJGKCXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N2O/c17-11-3-1-5-13(19)9(11)7-15-21-16(23-22-15)8-10-12(18)4-2-6-14(10)20/h1-6H,7-8H2.
What are the key properties of 3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole?
3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 355.17 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 5050996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).